8V36

Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	77.307, 87.556, 134.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.896 - 2.235
Rwork	0.223
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	2.310
High resolution limit [Å]	2.235	2.240
Rmerge	0.049	1.139
Rpim	0.022	0.512
Number of reflections	44738	3950
<I/σ(I)>	12.7	1.1
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	1.000	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES, magnesium chloride, PEG 4000